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4,5-Dihydro-5-methyl-3,4-diphenyl-5-isoxazolol-[13C2,15N]

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General Information
Catalog: BLP-007747
CAS: 1189468-68-5
Molecular Formula: C14[13C]2H15[15N]O2
Molecular Weight: 256.27

Chemical Structure

Description	4,5-Dihydro-5-methyl-3,4-diphenyl-5-isoxazolol-[13C2,15N] is a labelled intermediate for the preparation of Valdecoxib. Valdecoxib is a non-steroidal anti-inflammatory drug (NSAID) used for the treatment of osteoarthritis, rheumatoid arthritis, etc. Valdecoxib exhibits a selectively inhibitory effect against cyclooxygenase-2.
Synonyms	5-Hydroxy-5-methyl-3,4-diphenylisoxazoline-13C2,15N
IUPAC Name	5-(1-13C)methyl-3,4-diphenyl-(5-13C,2-15N)4H-1,2-oxazol-5-ol
Related CAS	181696-73-1 (unlabelled)
Canonical SMILES	CC1(C(C(=NO1)C2=CC=CC=C2)C3=CC=CC=C3)O
InChI	InChI=1S/C16H15NO2/c1-16(18)14(12-8-4-2-5-9-12)15(17-19-16)13-10-6-3-7-11-13/h2-11,14,18H,1H3/i1+1,16+1,17+1
InChI Key	LOFHVOCXHGAVHL-JZTCLKRDSA-N
Purity	>98%
Solubility	Soluble in Dichloromethane, Ethyl Acetate
Appearance	Off-white Solid